PDB ligand accession: QBB
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PGZJYUJKVGSJFI-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrahydroisoquinolines
- Subclass: None
- Class: Tetrahydroisoquinolines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4UMR | Download | Experimental | e4umrA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |